6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

C14H12ClF3N6O2 — CID 163476481

IUPAC6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n21
InChIInChI=1S/C14H12ClF3N6O2/c1-13(4-14(16,17)18)23-11(25)10-6(15)2-7(12(26)24(10)13)22-9-3-8(19)20-5-21-9/h2-3,5H,4H2,1H3,(H,23,25)(H3,19,20,21,22)
InChIKeyCAWBSQLFNXMHRC-UHFFFAOYSA-N
MW388.74 g/mol
LogP1.99
Rot. Bonds3

About 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione

6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 163476481) has the molecular formula C14H12ClF3N6O2 and a molecular weight of 388.74 g/mol. Its IUPAC name is 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID163476481
Molecular FormulaC14H12ClF3N6O2
Molecular Weight388.74 g/mol
Exact Mass388.07
IUPAC Name6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n21
InChIInChI=1S/C14H12ClF3N6O2/c1-13(4-14(16,17)18)23-11(25)10-6(15)2-7(12(26)24(10)13)22-9-3-8(19)20-5-21-9/h2-3,5H,4H2,1H3,(H,23,25)(H3,19,20,21,22)
InChIKeyCAWBSQLFNXMHRC-UHFFFAOYSA-N
XLogP1.99
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.74
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 163476481) is 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(CC(F)(F)F)NC(=O)c2c(Cl)cc(Nc3cc(N)ncn3)c(=O)n21.
What is the InChIKey of 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is CAWBSQLFNXMHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N6O2/c1-13(4-14(16,17)18)23-11(25)10-6(15)2-7(12(26)24(10)13)22-9-3-8(19)20-5-21-9/h2-3,5H,4H2,1H3,(H,23,25)(H3,19,20,21,22).
What are the key properties of 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 388.74 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 163476481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).